1-[(1R)-4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cycloheptane-1,2'-quinoline]-1'-yl]ethan-1-one

• ChemBase ID: 188577
• Molecular Formular: C19H27NO
• Molecular Mass: 285.42378
• Monoisotopic Mass: 285.20926449
• SMILES: N1(c2c(C(CC31CCCCCC3)C)cccc2C)C(=O)C
• Canonical SMILES: CC1CC2(CCCCCC2)N(c2c1cccc2C)C(=O)C
• InChI: InChI=1S/C19H27NO/c1-14-9-8-10-17-15(2)13-19(11-6-4-5-7-12-19)20(16(3)21)18(14)17/h8-10,15H,4-7,11-13H2,1-3H3
• InChIKey: XRVRADYQJCNSHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1R)-4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cycloheptane-1,2'-quinoline]-1'-yl]ethan-1-one
• IUPAC Traditional name: 1-[(1R)-4',8'-dimethyl-3',4'-dihydrospiro[cycloheptane-1,2'-quinoline]-1'-yl]ethanone

Database IDs

• PubChem SID: 164244487
• PubChem CID: 3670442

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.527528
• LogD (pH = 7.4): 4.527528
• Log P: 4.527528
• Molar Refractivity: 87.0421 cm^3
• Polarizability: 33.947147 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds